butyl 2,5-dimethyl-4,7-diphenyl-6H-pyrrolo[3,4-b]pyridine-3-carboxylate

Systemtic Name: butyl 2,5-dimethyl-4,7-diphenyl-6H-pyrrolo[3,4-b]pyridine-3-carboxylate Openeye Name: butyl 2,5-dimethyl-4,7-diphenyl-6H-pyrrolo[3,4-b]pyridine-3-carboxylate CAS Name: 2,5-dimethyl-4,7-diphenyl-6H-pyrrolo[3,4-b]pyridine-3-carboxylic acid butyl ester IUPAC Name: butyl 2,5-dimethyl-4,7-diphenyl-6H-pyrrolo[3,4-b]pyridine-3-carboxylate Traditional Name: 2,5-dimethyl-4,7-diphenyl-6H-pyrrolo[3,4-b]pyridine-3-carboxylic acid butyl ester Formula: C26H26N2O2 MolecularWeight: 398.49684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C2=C(NC(=C2N=C1C)C3=CC=CC=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=C(C2=C(NC(=C2N=C1C)C3=CC=CC=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C26H26N2O2/c1-4-5-16-30-26(29)22-18(3)28-25-21(23(22)19-12-8-6-9-13-19)17(2)27-24(25)20-14-10-7-11-15-20/h6-15,27H,4-5,16H2,1-3H3